3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine

C12H15N3O2S — CID 64852644

IUPAC3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCCC3)c2c1
InChIInChI=1S/C12H15N3O2S/c13-9-3-4-11-10(7-9)12(8-14-11)18(16,17)15-5-1-2-6-15/h3-4,7-8,14H,1-2,5-6,13H2
InChIKeyDHTQQLOEHIKSFI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.53
Rot. Bonds2

About 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine

3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine (PubChem CID 64852644) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
PubChem CID64852644
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCCC3)c2c1
InChIInChI=1S/C12H15N3O2S/c13-9-3-4-11-10(7-9)12(8-14-11)18(16,17)15-5-1-2-6-15/h3-4,7-8,14H,1-2,5-6,13H2
InChIKeyDHTQQLOEHIKSFI-UHFFFAOYSA-N
XLogP1.53
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylsulfonyl-1H-indol-5-amine
CID 14736107
4-[(5-amino-1H-indol-3-yl)sulfonyl]piperazine-2,6-dione
CID 66085638
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791
[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
CID 64851482
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
4-[(6-amino-1H-indol-3-yl)sulfonyl]-1,4-diazepan-2-one
CID 66000546
3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
CID 102955337
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
CID 107212999
3-(azepan-1-ylsulfonyl)-4-ethylaniline
CID 43255737

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine (CID 64852644) is 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine is Nc1ccc2[nH]cc(S(=O)(=O)N3CCCC3)c2c1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine?
The InChIKey is DHTQQLOEHIKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-9-3-4-11-10(7-9)12(8-14-11)18(16,17)15-5-1-2-6-15/h3-4,7-8,14H,1-2,5-6,13H2.
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine?
3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine has a molecular weight of 265.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine is sourced from PubChem (CID 64852644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).